1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine

C12H18N2 — CID 18739815

IUPAC1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine
SMILESCN=C1C(C)=C(C)C(=NC)C(C)=C1C
InChIInChI=1S/C12H18N2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h1-6H3/b13-11-,14-12+
InChIKeyIXZPVCNHTWCXIF-HEEUSZRZSA-N
MW190.29 g/mol
LogP2.81
Rot. Bonds

About 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine

1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine (PubChem CID 18739815) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine
PubChem CID18739815
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine
SMILESCN=C1C(C)=C(C)C(=NC)C(C)=C1C
InChIInChI=1S/C12H18N2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h1-6H3/b13-11-,14-12+
InChIKeyIXZPVCNHTWCXIF-HEEUSZRZSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(4-Cyanoimino-2,3-diethyl-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134936879
(4-Cyanoimino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13329895
N,2,3-trimethylcyclohex-2-en-1-imine
CID 21303745
1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine
CID 22979280
(3E,6E)-2-N,8-N,3,4,6,7-hexamethylnona-3,6-diene-2,8-diimine
CID 89900803
4-ethyl-N,3-dimethylhex-3-en-2-imine
CID 90731252
N,4,5-trimethylhept-4-en-3-imine
CID 91220474
N,3-dimethyl-6-methylideneoct-3-en-2-imine
CID 91259001
(E)-N,3,4-trimethylhex-3-en-2-imine
CID 117753959
3-ethyl-N,4-dimethylpent-3-en-2-imine
CID 123152699
(4Z)-N,4,5-trimethylocta-1,4-dien-3-imine
CID 123361932

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine (CID 18739815) is 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine is CN=C1C(C)=C(C)C(=NC)C(C)=C1C.
What is the InChIKey of 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine?
The InChIKey is IXZPVCNHTWCXIF-HEEUSZRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h1-6H3/b13-11-,14-12+.
What are the key properties of 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine?
1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine has a molecular weight of 190.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 18739815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).